REMARK  Name = BDB065215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.801   0.078  -0.356  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        0.006   0.321  -1.481  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.332  -0.081  -1.520  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.908  -0.735  -0.425  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -1.109  -0.976   0.700  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.233  -0.572   0.736  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.314  -1.163  -0.457  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -4.376  -0.336   0.012  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1       -5.706  -0.826  -0.050  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -6.769  -0.029   0.407  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -6.543   1.245   0.924  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.248   1.741   0.992  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.957  -2.105  -0.568  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -4.916  -2.908  -1.026  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.180   0.962   0.542  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.607  -2.440  -0.970  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  O   LIG    1        2.079   0.534  -0.482  0.00  0.00    -0.470 OA
BRANCH  17  19
ATOM     18  C   LIG    1        2.822   1.286   1.697  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        3.101   0.342   0.509  0.00  0.00    +0.228 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.452   0.787  -0.114  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.533   1.302  -1.420  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        5.757   1.700  -1.964  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.925   1.591  -1.214  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.871   1.084   0.080  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.649   0.686   0.626  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1        3.258  -1.132   0.973  0.00  0.00    +0.353 C 
ATOM     27  O   LIG    1        3.357  -1.524   2.128  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.297  -2.026  -0.041  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        3.408  -2.895   0.396  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6